Structural and binding insights into HIV-1 protease and P2-ligand interactions through molecular dynamics simulations, binding free energy and principal component analysis. Schopfer, E. Mendieta-Wejebe, E. Physical Chemistry Chemical Physics20 43 Melge, Lekshmi G.
Identification of 4- 9H-fluorenyl piperazinyl methanone derivatives as falcipain 2 inhibitors active against Plasmodium falciparum cultures.
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